MOLECULAR BOND STRENGTHS, BOND ENERGIES, AND FORCE CONSTANTS

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1965

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Ohio State University

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``Bond Strength'' is a term which is much used but seldom (if ever) defined. A possible definition would be that the bond strength is the average force S required to do 99.99 per cent of the work necessary to produce infinite separation of the atoms X and Y in the XY bond. That is ""[FIGURE]"" \begin{equation}S= \int^{R}{r{v}} f(r)\ dr/ \int^{R}{r{e}}dr,\end{equation} where f(r) is the force at the internuclear separation rire is the separation at equilibrium, and R is that value of r at which the potential energy UR=0.9999WDeWDe being the dissociation energy (or bond energy). Using the Morse potential energy function, with UR=0.9999WDe and r=R, one finds that Rre=9.900/a, where a is the constant in the Morse function that determines the curvature of the potential energy curve near rv. Using this, and replacing the first integral in Eq. (1) by 0.9999 WDe, gives \begin{equation}S=0.1010\ a\ W_{De}\end{equation} If a is not known, one can use the stretching force constant f for the X-Y bond. This is given by f=d2U/dr2=2a2WDe. Using the value of a obtained from this, Eq. (2) becomes \begin{equation}S=0.07142 (f\ W_{De})^{1/2},\end{equation} or \begin{equation}S=9.0419\ \mu\ dyn (f\ W_{De})^{1/2}\end{equation} when f is in microdynes per picometer and WDe is in electron-volts. Previously, L. Pokras obtained for f,WDe, the values 51.211μ dyn/pm, 5.2933 eV, for HCl35, and 51.194, 5.3211, for HCl37. Using these, S(HCl35)=148.88 and S(HCl37)=149.24μdyn. Values of S for other bonds, calculated from less reliable values of WDe are: CO385;N2370;C=C335;C=C221;NO263;O2221;OH167;H2138;NH133;CH132;CC115;Cl282;Br262;I246;Li215;Na210; and K26μdyn. It is interesting to note that the S values of CC,C=C, and C=C are in the ratio 1 to 1.9 to 2.9.

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Author Institution: Physics Department, Illinois Institute of Technology

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